N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H16F4N2O2 — CID 103205332

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCCCN(C(=O)COCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C13H16F4N2O2/c14-10-2-4-11(5-3-10)19(7-1-6-18)12(20)8-21-9-13(15,16)17/h2-5H,1,6-9,18H2
InChIKeyHAAZYORSZJCTCA-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.09
Rot. Bonds7

About N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205332) has the molecular formula C13H16F4N2O2 and a molecular weight of 308.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205332
Molecular FormulaC13H16F4N2O2
Molecular Weight308.28 g/mol
Exact Mass308.11
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCCCN(C(=O)COCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C13H16F4N2O2/c14-10-2-4-11(5-3-10)19(7-1-6-18)12(20)8-21-9-13(15,16)17/h2-5H,1,6-9,18H2
InChIKeyHAAZYORSZJCTCA-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205322
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide
CID 103017246
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-(2,2,2-trifluoroethoxymethyl)benzoate
CID 46681292
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 27310320
N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552293
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 120884359

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205332) is N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide is NCCCN(C(=O)COCC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HAAZYORSZJCTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2/c14-10-2-4-11(5-3-10)19(7-1-6-18)12(20)8-21-9-13(15,16)17/h2-5H,1,6-9,18H2.
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 308.28 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).